CID 285971

Tris(2-methylphenyl)methanol

Structural Information

Molecular Formula
C22H22O
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2C)(C3=CC=CC=C3C)O
InChI
InChI=1S/C22H22O/c1-16-10-4-7-13-19(16)22(23,20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15,23H,1-3H3
InChIKey
UQGWZAMWUWHGMA-UHFFFAOYSA-N
Compound name
tris(2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

302.16705 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17433 173.5
[M+Na]+ 325.15627 180.7
[M-H]- 301.15977 182.1
[M+NH4]+ 320.20087 187.8
[M+K]+ 341.13021 174.7
[M+H-H2O]+ 285.16431 165.2
[M+HCOO]- 347.16525 193.5
[M+CH3COO]- 361.18090 205.3
[M+Na-2H]- 323.14172 177.8
[M]+ 302.16650 172.9
[M]- 302.16760 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe